Information card for entry 7716381

Structure parameters

• Formula: C30 H37 Co F12 N6 P2
• Calculated formula: C30 H37 Co F12 N6 P2
• Title of publication: “Catch and Release” of the CpN3 Ligand Using Cobalt: Dissociation, Protonation, and C-H Bond Thermochemistry
• Authors of publication: Luhach, Sanju; Lalancette, Roger A.; Prokopchuk, Demyan E.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 11.91381 ± 0.00016 Å
• b: 17.0734 ± 0.0002 Å
• c: 17.7791 ± 0.0002 Å
• α: 90°
• β: 104.573 ± 0.0014°
• γ: 90°
• Cell volume: 3500.08 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No